Binding information for 3bel_ligand_1_8.mol2(FDBF00178)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bel_ligand_1_8.mol2 | 3bel | 1 | -4.99 | O[NH2+]C | 3 |
Structure and binding mode of 3bel_ligand_1_8.mol2(FDBF00178)
Important binding residues for 3bel_ligand_1_8.mol2(FDBF00178)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bel | LEU718 | -0.54 | -0.29 | -0.83 | 0.09 | -0.74 |
| 3bel | VAL726 | -0.34 | 0.06 | -0.28 | -0.15 | -0.44 |
| 3bel | GLY796 | -0.22 | 0.10 | -0.12 | -0.30 | -0.43 |
| 3bel | LEU844 | -0.38 | -0.01 | -0.39 | -0.07 | -0.46 |
